Information card for entry 7046116

Structure parameters

• Formula: C19.75 H29 Cl2 Cu N4 O3.75
• Calculated formula: C19.75 H29 Cl2 Cu N4 O3.75
• Title of publication: Novel chelators based on adamantane-derived semicarbazones and hydrazones that target multiple hallmarks of Alzheimer's disease.
• Authors of publication: Palanimuthu, Duraippandi; Wu, Zhixuan; Jansson, Patric J.; Braidy, Nady; Bernhardt, Paul V.; Richardson, Des R.; Kalinowski, Danuta S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 21
• Pages of publication: 7190 - 7205
• a: 8.6653 ± 0.0005 Å
• b: 12.8542 ± 0.0006 Å
• c: 22.1094 ± 0.001 Å
• α: 99.037 ± 0.005°
• β: 93.119 ± 0.005°
• γ: 105.051 ± 0.005°
• Cell volume: 2336.9 ± 0.2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.2531
• Weighted residual factors for all reflections included in the refinement: 0.2604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No